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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock PF-03715455 - Moligand™ , MAP kinase p38 alpha inhibitor, CAS No.P612724, MAP kinase p38 alpha inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
DTXSID70147214 | UREA, N-(1-(3-CHLORO-4-HYDROXYPHENYL)-3-(1,1-DIMETHYLETHYL)-1H-PYRAZOL-5-YL)-N'-((2-((3-(2-((2-HYDROXYETHYL)THIO)PHENYL)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-6-YL)THIO)PHENYL)METHYL)- | 1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonymes
DTXSID70147214 | UREA, N-(1-(3-CHLORO-4-HYDROXYPHENYL)-3-(1,1-DIMETHYLETHYL)-1H-PYRAZOL-5-YL)-N'-((2-((3-(2-((2-HYDROXYETHYL)THIO)PHENYL)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-6-YL)THIO)PHENYL)METHYL)- | 1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Mécanisme d'action
MAP kinase p38 alpha inhibitor
Noms et identifiants Sourires canoniques
OCCSc1ccccc1c1nnc2n1cc(cc2)Sc1ccccc1CNC(=O)Nc1cc(nn1c1ccc(c(c1)Cl)O)C(C)(C)C
IUPAC Name
1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]sulfanyl]phenyl]methyl]urea
InChIKey
VGEXRDWWPSGZDH-UHFFFAOYSA-N
INCHI
1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
Isomères SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)NCC2=CC=CC=C2SC3=CN4C(=NN=C4C5=CC=CC=C5SCCO)C=C3)C6=CC(=C(C=C6)O)Cl
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Classe Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Diarylthioethers Phenyl-1,2,4-triazoles Triazolopyridines Thiophenol ethers O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Chlorobenzenes Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Ureas Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organochlorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpyrazole - Diarylthioether - Phenyl-1,2,4-triazole - Phenyltriazole - Triazolopyridine - Aryl thioether - 2-halophenol - 2-chlorophenol - Thiophenol ether - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - 1,2,4-triazole - Triazole - Urea - Thioether - Sulfenyl compound - Azacycle - Primary alcohol - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Alcohol - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Poids moléculaire 700.300 g/mol XLogP3 7.500 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 11 Exact Mass 699.185 Da Monoisotopic Mass 699.185 Da Topological Polar Surface Area 180.000 Ų Heavy Atom Count 48 Formal Charge 0 Complexity 1040.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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